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

C13H22N4O2S — CID 106138902

IUPAC4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCC2CCC(O)CC2)s1
InChIInChI=1S/C13H22N4O2S/c1-17(2)13-16-11(14)10(20-13)12(19)15-7-8-3-5-9(18)6-4-8/h8-9,18H,3-7,14H2,1-2H3,(H,15,19)
InChIKeyKPFDBCJZNMDVCS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.07
Rot. Bonds4

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

4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 106138902) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID106138902
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCC2CCC(O)CC2)s1
InChIInChI=1S/C13H22N4O2S/c1-17(2)13-16-11(14)10(20-13)12(19)15-7-8-3-5-9(18)6-4-8/h8-9,18H,3-7,14H2,1-2H3,(H,15,19)
InChIKeyKPFDBCJZNMDVCS-UHFFFAOYSA-N
XLogP1.07
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-N-[(3-hydroxycyclobutyl)methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671049
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116672887
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
4-amino-2-[methyl(propyl)amino]-N-(oxan-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116666332
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide
CID 116672291
4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663408

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide (CID 106138902) is 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NCC2CCC(O)CC2)s1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KPFDBCJZNMDVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-17(2)13-16-11(14)10(20-13)12(19)15-7-8-3-5-9(18)6-4-8/h8-9,18H,3-7,14H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106138902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).