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

C17H24N4OS — CID 129006403

IUPACN-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C17H24N4OS/c1-10(2)13-8-14(20-19-13)17(22)21(4)9-12-6-5-7-15-16(12)18-11(3)23-15/h8,10,12H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyYJEUGIUBUFSEIX-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.49
Rot. Bonds4

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

N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 129006403) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID129006403
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C17H24N4OS/c1-10(2)13-8-14(20-19-13)17(22)21(4)9-12-6-5-7-15-16(12)18-11(3)23-15/h8,10,12H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyYJEUGIUBUFSEIX-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 129006403) is N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1nc2c(s1)CCCC2CN(C)C(=O)c1cc(C(C)C)[nH]n1.
What is the InChIKey of N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YJEUGIUBUFSEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10(2)13-8-14(20-19-13)17(22)21(4)9-12-6-5-7-15-16(12)18-11(3)23-15/h8,10,12H,5-7,9H2,1-4H3,(H,19,20).
What are the key properties of N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 129006403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).