4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide

C14H24N4OS — CID 116664476

IUPAC4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCC(N(C)C(=O)c1sc(NC2CC2)nc1N)C(C)(C)C
InChIInChI=1S/C14H24N4OS/c1-8(14(2,3)4)18(5)12(19)10-11(15)17-13(20-10)16-9-6-7-9/h8-9H,6-7,15H2,1-5H3,(H,16,17)
InChIKeyBMACYSFIBPNIOE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.81
Rot. Bonds4

About 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116664476) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116664476
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCC(N(C)C(=O)c1sc(NC2CC2)nc1N)C(C)(C)C
InChIInChI=1S/C14H24N4OS/c1-8(14(2,3)4)18(5)12(19)10-11(15)17-13(20-10)16-9-6-7-9/h8-9H,6-7,15H2,1-5H3,(H,16,17)
InChIKeyBMACYSFIBPNIOE-UHFFFAOYSA-N
XLogP2.81
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide (CID 116664476) is 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide is CC(N(C)C(=O)c1sc(NC2CC2)nc1N)C(C)(C)C.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BMACYSFIBPNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-8(14(2,3)4)18(5)12(19)10-11(15)17-13(20-10)16-9-6-7-9/h8-9H,6-7,15H2,1-5H3,(H,16,17).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-(3,3-dimethylbutan-2-yl)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).