4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide

C12H15N5OS — CID 55034286

IUPAC4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2nc3c(s2)CCCC3)c1N
InChIInChI=1S/C12H15N5OS/c1-6-9(13)10(17-16-6)11(18)15-12-14-7-4-2-3-5-8(7)19-12/h2-5,13H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyIPOXRCDAIUFGKI-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.89
Rot. Bonds2

About 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 55034286) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID55034286
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2nc3c(s2)CCCC3)c1N
InChIInChI=1S/C12H15N5OS/c1-6-9(13)10(17-16-6)11(18)15-12-14-7-4-2-3-5-8(7)19-12/h2-5,13H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyIPOXRCDAIUFGKI-UHFFFAOYSA-N
XLogP1.89
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide (CID 55034286) is 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2nc3c(s2)CCCC3)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is IPOXRCDAIUFGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-6-9(13)10(17-16-6)11(18)15-12-14-7-4-2-3-5-8(7)19-12/h2-5,13H2,1H3,(H,16,17)(H,14,15,18).
What are the key properties of 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).