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

C11H18N4OS — CID 116672710

IUPAC4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC2(C)CC2)s1
InChIInChI=1S/C11H18N4OS/c1-6(2)13-10-14-8(12)7(17-10)9(16)15-11(3)4-5-11/h6H,4-5,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyCZAGUDOGHFBNBY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.83
Rot. Bonds4

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

4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116672710) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID116672710
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC2(C)CC2)s1
InChIInChI=1S/C11H18N4OS/c1-6(2)13-10-14-8(12)7(17-10)9(16)15-11(3)4-5-11/h6H,4-5,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyCZAGUDOGHFBNBY-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(propan-2-ylamino)-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
CID 106215837
4-amino-N-(4,4-dimethylcyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666865
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663074
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 114759727
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666471
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-N-(2-methyloxolan-3-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672047
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 116672710) is 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NC2(C)CC2)s1.
What is the InChIKey of 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is CZAGUDOGHFBNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-6(2)13-10-14-8(12)7(17-10)9(16)15-11(3)4-5-11/h6H,4-5,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).