N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane

C20H29N5O2S — CID 145045265

IUPACN-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane
SMILESCCOC.Cc1cc(NC2=NCCCN2)c(C)cc1Cc1nc(NC=O)cs1
InChIInChI=1S/C17H21N5OS.C3H8O/c1-11-7-14(21-17-18-4-3-5-19-17)12(2)6-13(11)8-16-22-15(9-24-16)20-10-23;1-3-4-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,23)(H2,18,19,21);3H2,1-2H3
InChIKeyFVKMHBNXSWRKHV-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.33
Rot. Bonds6

About N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane

N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane (PubChem CID 145045265) has the molecular formula C20H29N5O2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane.

Molecular Properties

Compound NameN-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane
PubChem CID145045265
Molecular FormulaC20H29N5O2S
Molecular Weight403.55 g/mol
Exact Mass403.20
IUPAC NameN-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane
SMILESCCOC.Cc1cc(NC2=NCCCN2)c(C)cc1Cc1nc(NC=O)cs1
InChIInChI=1S/C17H21N5OS.C3H8O/c1-11-7-14(21-17-18-4-3-5-19-17)12(2)6-13(11)8-16-22-15(9-24-16)20-10-23;1-3-4-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,23)(H2,18,19,21);3H2,1-2H3
InChIKeyFVKMHBNXSWRKHV-UHFFFAOYSA-N
XLogP3.33
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-methylnaphthalen-2-yl]acetamide
CID 141630430
N-(2,3-dimethylphenyl)-2-[methyl-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetamide
CID 17524391
ethyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate
CID 71250715
propan-2-yl N-[2-[(4-amino-2,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 89404155
propan-2-yl N-[2-[(2,5-dimethyl-4-nitrosophenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 89404195
[2-[[4-[[Ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamic acid
CID 90185000
[2-[[4-[[Ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamic acid;dihydrochloride
CID 90185090
[2-[[4-[[Ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamic acid;hydrochloride
CID 90185204
[2-[(4-Amino-2,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]-propan-2-ylcarbamic acid
CID 90185420
cyclohexyl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate
CID 90195704
propan-2-yl N-[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]carbamate
CID 90195705
tert-butyl N-[[(1R)-6-[methyl-(2-methyl-1,3-thiazol-4-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
CID 118597818

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane?
The IUPAC name of N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane (CID 145045265) is N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane.
What is the SMILES notation for N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane?
The canonical SMILES for N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane is CCOC.Cc1cc(NC2=NCCCN2)c(C)cc1Cc1nc(NC=O)cs1.
What is the InChIKey of N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane?
The InChIKey is FVKMHBNXSWRKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS.C3H8O/c1-11-7-14(21-17-18-4-3-5-19-17)12(2)6-13(11)8-16-22-15(9-24-16)20-10-23;1-3-4-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,23)(H2,18,19,21);3H2,1-2H3.
What are the key properties of N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane?
N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane has a molecular weight of 403.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]formamide;methoxyethane is sourced from PubChem (CID 145045265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).