4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C13H23N5OS — CID 116663074

IUPAC4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC2CCCCC2N)s1
InChIInChI=1S/C13H23N5OS/c1-7(2)16-13-18-11(15)10(20-13)12(19)17-9-6-4-3-5-8(9)14/h7-9H,3-6,14-15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQVKVHDJSGRUDCS-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.55
Rot. Bonds4

About 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663074) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663074
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC2CCCCC2N)s1
InChIInChI=1S/C13H23N5OS/c1-7(2)16-13-18-11(15)10(20-13)12(19)17-9-6-4-3-5-8(9)14/h7-9H,3-6,14-15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQVKVHDJSGRUDCS-UHFFFAOYSA-N
XLogP1.55
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663067
4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672047
4-amino-N-(4,4-dimethylcyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666865
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106368446
4-amino-2-(cyclopropylamino)-N-(2-methylcycloheptyl)-1,3-thiazole-5-carboxamide
CID 116667333
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116663074) is 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NC2CCCCC2N)s1.
What is the InChIKey of 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QVKVHDJSGRUDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-7(2)16-13-18-11(15)10(20-13)12(19)17-9-6-4-3-5-8(9)14/h7-9H,3-6,14-15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).