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

C11H19N5OS — CID 116663067

IUPAC4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC2CCCCC2N)s1
InChIInChI=1S/C11H19N5OS/c1-14-11-16-9(13)8(18-11)10(17)15-7-5-3-2-4-6(7)12/h6-7H,2-5,12-13H2,1H3,(H,14,16)(H,15,17)
InChIKeyDUAHEHDJNIQBAH-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.77
Rot. Bonds3

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

4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663067) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663067
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC2CCCCC2N)s1
InChIInChI=1S/C11H19N5OS/c1-14-11-16-9(13)8(18-11)10(17)15-7-5-3-2-4-6(7)12/h6-7H,2-5,12-13H2,1H3,(H,14,16)(H,15,17)
InChIKeyDUAHEHDJNIQBAH-UHFFFAOYSA-N
XLogP0.77
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663074
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-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45107290
4-amino-N-(1,1-dioxothian-3-yl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116666456
4-amino-N-(2-cyclopropylethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116667308
4-amino-N-(2,3-dimethylcyclohexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668414
4-amino-2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666781
N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
CID 63258149
4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672047
4-amino-N-(2-methoxycyclopentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116665167
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116663067) is 4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NC2CCCCC2N)s1.
What is the InChIKey of 4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is DUAHEHDJNIQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-14-11-16-9(13)8(18-11)10(17)15-7-5-3-2-4-6(7)12/h6-7H,2-5,12-13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.77, 3 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-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).