5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine

C14H27N3S — CID 62768860

IUPAC5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(C)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C14H27N3S/c1-7-10(8-2)17(6)13-16-12(14(3,4)5)11(9-15)18-13/h10H,7-9,15H2,1-6H3
InChIKeySMPBRRGBZBCQMM-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.52
Rot. Bonds5

About 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine

5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 62768860) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID62768860
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(C)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C14H27N3S/c1-7-10(8-2)17(6)13-16-12(14(3,4)5)11(9-15)18-13/h10H,7-9,15H2,1-6H3
InChIKeySMPBRRGBZBCQMM-UHFFFAOYSA-N
XLogP3.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79488830
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62769416
5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62769108
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
CID 62768652
[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
CID 82439357
5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766697
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768020
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62768709
5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine
CID 62768599
5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766654
4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117420
[4-tert-butyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 55117715

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine (CID 62768860) is 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)N(C)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is SMPBRRGBZBCQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-7-10(8-2)17(6)13-16-12(14(3,4)5)11(9-15)18-13/h10H,7-9,15H2,1-6H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62768860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).