3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide

C10H14N6OS — CID 106044447

IUPAC3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCc1c(CNc2snc(N)c2C(N)=O)cnn1C
InChIInChI=1S/C10H14N6OS/c1-5-6(4-14-16(5)2)3-13-10-7(9(12)17)8(11)15-18-10/h4,13H,3H2,1-2H3,(H2,11,15)(H2,12,17)
InChIKeyPHUCLADCITUAJH-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.48
Rot. Bonds4

About 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide

3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide (PubChem CID 106044447) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide
PubChem CID106044447
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide
SMILESCc1c(CNc2snc(N)c2C(N)=O)cnn1C
InChIInChI=1S/C10H14N6OS/c1-5-6(4-14-16(5)2)3-13-10-7(9(12)17)8(11)15-18-10/h4,13H,3H2,1-2H3,(H2,11,15)(H2,12,17)
InChIKeyPHUCLADCITUAJH-UHFFFAOYSA-N
XLogP0.48
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 114140206
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 106044474
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 106044435
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 114139144
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106035269
methyl 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylsulfanylthiophene-2-carboxylate
CID 106044735
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
methyl 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 106044826

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide (CID 106044447) is 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide is Cc1c(CNc2snc(N)c2C(N)=O)cnn1C.
What is the InChIKey of 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is PHUCLADCITUAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-5-6(4-14-16(5)2)3-13-10-7(9(12)17)8(11)15-18-10/h4,13H,3H2,1-2H3,(H2,11,15)(H2,12,17).
What are the key properties of 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106044447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).