4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide

C12H18N6OS — CID 116671334

IUPAC4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)Nc2ccn(C)n2)s1
InChIInChI=1S/C12H18N6OS/c1-7(2)6-14-12-16-10(13)9(20-12)11(19)15-8-4-5-18(3)17-8/h4-5,7H,6,13H2,1-3H3,(H,14,16)(H,15,17,19)
InChIKeyRVKTZEJBUPLSBT-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116671334) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID116671334
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)Nc2ccn(C)n2)s1
InChIInChI=1S/C12H18N6OS/c1-7(2)6-14-12-16-10(13)9(20-12)11(19)15-8-4-5-18(3)17-8/h4-5,7H,6,13H2,1-3H3,(H,14,16)(H,15,17,19)
InChIKeyRVKTZEJBUPLSBT-UHFFFAOYSA-N
XLogP1.78
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(4-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668462
4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 116670035
4-amino-N-(2-bromophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668499
2-amino-4-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794451
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 107855762
4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665119
4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
4-amino-N-cyclopentyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667691
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673706
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 116671334) is 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)Nc2ccn(C)n2)s1.
What is the InChIKey of 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is RVKTZEJBUPLSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-7(2)6-14-12-16-10(13)9(20-12)11(19)15-8-4-5-18(3)17-8/h4-5,7H,6,13H2,1-3H3,(H,14,16)(H,15,17,19).
What are the key properties of 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropylamino)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).