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

C14H18N4OS — CID 129001148

IUPACN-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C14H18N4OS/c1-9-16-13-10(4-3-5-12(13)20-9)8-18(2)14(19)11-6-7-15-17-11/h6-7,10H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyGSJJNLDFFNFKMH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.37
Rot. Bonds3

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

N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 129001148) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID129001148
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)c1ccn[nH]1
InChIInChI=1S/C14H18N4OS/c1-9-16-13-10(4-3-5-12(13)20-9)8-18(2)14(19)11-6-7-15-17-11/h6-7,10H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyGSJJNLDFFNFKMH-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.37
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]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 129001148) is N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is Cc1nc2c(s1)CCCC2CN(C)C(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GSJJNLDFFNFKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-16-13-10(4-3-5-12(13)20-9)8-18(2)14(19)11-6-7-15-17-11/h6-7,10H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.37, 3 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]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 129001148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).