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

C13H18N6OS — CID 103012934

IUPAC4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCn1nccc1CCNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C13H18N6OS/c1-19-9(5-7-16-19)4-6-15-12(20)10-11(14)18-13(21-10)17-8-2-3-8/h5,7-8H,2-4,6,14H2,1H3,(H,15,20)(H,17,18)
InChIKeyDGQHYRVWIMTTBR-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.01
Rot. Bonds6

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

4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 103012934) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID103012934
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCn1nccc1CCNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C13H18N6OS/c1-19-9(5-7-16-19)4-6-15-12(20)10-11(14)18-13(21-10)17-8-2-3-8/h5,7-8H,2-4,6,14H2,1H3,(H,15,20)(H,17,18)
InChIKeyDGQHYRVWIMTTBR-UHFFFAOYSA-N
XLogP1.01
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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4-amino-2-(cyclopropylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
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4-amino-2-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(cyclobutylamino)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
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4-amino-2-(cyclopropylamino)-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 106898376
4-amino-2-(cyclopropylamino)-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
CID 106311932
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 103012934) is 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide is Cn1nccc1CCNC(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DGQHYRVWIMTTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-19-9(5-7-16-19)4-6-15-12(20)10-11(14)18-13(21-10)17-8-2-3-8/h5,7-8H,2-4,6,14H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103012934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).