4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 116663544

IUPAC4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCC2CCCC2O)s1
InChIInChI=1S/C13H22N4O2S/c1-2-6-15-13-17-11(14)10(20-13)12(19)16-7-8-4-3-5-9(8)18/h8-9,18H,2-7,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyLNRHSQUJJFMZKE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds6

About 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663544) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663544
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCC2CCCC2O)s1
InChIInChI=1S/C13H22N4O2S/c1-2-6-15-13-17-11(14)10(20-13)12(19)16-7-8-4-3-5-9(8)18/h8-9,18H,2-7,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyLNRHSQUJJFMZKE-UHFFFAOYSA-N
XLogP1.44
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665988
4-amino-N-[(3-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 106138867
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-(oxolan-2-ylmethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668901
4-amino-N-[2-(oxolan-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664626
4-amino-2-(propylamino)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665541
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668414
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116663544) is 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NCC2CCCC2O)s1.
What is the InChIKey of 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is LNRHSQUJJFMZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-6-15-13-17-11(14)10(20-13)12(19)16-7-8-4-3-5-9(8)18/h8-9,18H,2-7,14H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-hydroxycyclopentyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).