4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C16H29N3OS — CID 81064681

IUPAC4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCOCCN(C)c1nc(C2CC2)c(CNCC(C)C)s1
InChIInChI=1S/C16H29N3OS/c1-5-20-9-8-19(4)16-18-15(13-6-7-13)14(21-16)11-17-10-12(2)3/h12-13,17H,5-11H2,1-4H3
InChIKeyNFVOYMRJJVKKPV-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.24
Rot. Bonds10

About 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 81064681) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID81064681
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCCOCCN(C)c1nc(C2CC2)c(CNCC(C)C)s1
InChIInChI=1S/C16H29N3OS/c1-5-20-9-8-19(4)16-18-15(13-6-7-13)14(21-16)11-17-10-12(2)3/h12-13,17H,5-11H2,1-4H3
InChIKeyNFVOYMRJJVKKPV-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63917342
4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63916947
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436887
4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81064695
N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63917430
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436157
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356
4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 81067888
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine
CID 63915980

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 81064681) is 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CCOCCN(C)c1nc(C2CC2)c(CNCC(C)C)s1.
What is the InChIKey of 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is NFVOYMRJJVKKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-20-9-8-19(4)16-18-15(13-6-7-13)14(21-16)11-17-10-12(2)3/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 81064681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).