1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol

C15H19N3OS — CID 103378857

IUPAC1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1nsc(NCC2(O)CCCC2)c1-c1ccccc1
InChIInChI=1S/C15H19N3OS/c16-13-12(11-6-2-1-3-7-11)14(20-18-13)17-10-15(19)8-4-5-9-15/h1-3,6-7,17,19H,4-5,8-10H2,(H2,16,18)
InChIKeyXUMRPMVVNGWZCG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.11
Rot. Bonds4

About 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol

1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 103378857) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol
PubChem CID103378857
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1nsc(NCC2(O)CCCC2)c1-c1ccccc1
InChIInChI=1S/C15H19N3OS/c16-13-12(11-6-2-1-3-7-11)14(20-18-13)17-10-15(19)8-4-5-9-15/h1-3,6-7,17,19H,4-5,8-10H2,(H2,16,18)
InChIKeyXUMRPMVVNGWZCG-UHFFFAOYSA-N
XLogP3.11
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382325
1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol
CID 103359863
5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382843
3-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol
CID 103383658
4-phenyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378502
5-N-(2-ethylbutyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103384488
2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]-2-methylpropan-1-ol
CID 103382880
N-[2-[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]ethyl]cyclopropanecarboxamide
CID 103384288
methyl 3-amino-5-[(1-hydroxycyclohexyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103378868
1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 103348943
5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382541
1-[[(3-aminoquinoxalin-2-yl)amino]methyl]cycloheptan-1-ol
CID 102984462

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol (CID 103378857) is 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol is Nc1nsc(NCC2(O)CCCC2)c1-c1ccccc1.
What is the InChIKey of 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is XUMRPMVVNGWZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-13-12(11-6-2-1-3-7-11)14(20-18-13)17-10-15(19)8-4-5-9-15/h1-3,6-7,17,19H,4-5,8-10H2,(H2,16,18).
What are the key properties of 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol?
1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 289.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103378857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).