N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

C16H29N3OS — CID 107510022

IUPACN-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCCN(c1nc(COC)c(CNCCC)s1)C1CC1
InChIInChI=1S/C16H29N3OS/c1-4-6-10-19(13-7-8-13)16-18-14(12-20-3)15(21-16)11-17-9-5-2/h13,17H,4-12H2,1-3H3
InChIKeyNLGFFPFPKSYOFF-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.56
Rot. Bonds11

About N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 107510022) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID107510022
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCCN(c1nc(COC)c(CNCCC)s1)C1CC1
InChIInChI=1S/C16H29N3OS/c1-4-6-10-19(13-7-8-13)16-18-14(12-20-3)15(21-16)11-17-9-5-2/h13,17H,4-12H2,1-3H3
InChIKeyNLGFFPFPKSYOFF-UHFFFAOYSA-N
XLogP3.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.56
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-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509708
2-[butyl(cyclopropyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509013
N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62768940
4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230
5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine
CID 62767526
N-(2,2-dimethylpropyl)-4-(methoxymethyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510170
N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514625
4-(methoxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510697
N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
CID 62768237
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107509930
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506
2-[cyclopropyl(ethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508965

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 107510022) is N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCCN(c1nc(COC)c(CNCCC)s1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is NLGFFPFPKSYOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-6-10-19(13-7-8-13)16-18-14(12-20-3)15(21-16)11-17-9-5-2/h13,17H,4-12H2,1-3H3.
What are the key properties of N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107510022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).