4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide

C12H18N6OS — CID 116671491

IUPAC4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCCc2cnn(C)c2)s1
InChIInChI=1S/C12H18N6OS/c1-17(2)12-16-10(13)9(20-12)11(19)14-5-4-8-6-15-18(3)7-8/h6-7H,4-5,13H2,1-3H3,(H,14,19)
InChIKeyQRGRODQSCUTUBP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.50
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116671491) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116671491
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)NCCc2cnn(C)c2)s1
InChIInChI=1S/C12H18N6OS/c1-17(2)12-16-10(13)9(20-12)11(19)14-5-4-8-6-15-18(3)7-8/h6-7H,4-5,13H2,1-3H3,(H,14,19)
InChIKeyQRGRODQSCUTUBP-UHFFFAOYSA-N
XLogP0.50
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 106327698
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 80691393
2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 110474312
4-amino-2-(dimethylamino)-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668777
4-amino-2-(dimethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664873
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429
4-amino-2-(dimethylamino)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-5-carboxamide
CID 116672545
5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 80686009
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
4-amino-2-(dimethylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]-1,3-thiazole-5-carboxamide
CID 116672291

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116671491) is 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)NCCc2cnn(C)c2)s1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QRGRODQSCUTUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-17(2)12-16-10(13)9(20-12)11(19)14-5-4-8-6-15-18(3)7-8/h6-7H,4-5,13H2,1-3H3,(H,14,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).