2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C18H21N5O2S — CID 138387565

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N(C)Cc1ccn[nH]1)C2
InChIInChI=1S/C18H21N5O2S/c1-10-16(11(2)25-22-10)17-20-14-8-12(4-5-15(14)26-17)18(24)23(3)9-13-6-7-19-21-13/h6-7,12H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyVPOVDRLKSYNWJD-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.90
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138387565) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138387565
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N(C)Cc1ccn[nH]1)C2
InChIInChI=1S/C18H21N5O2S/c1-10-16(11(2)25-22-10)17-20-14-8-12(4-5-15(14)26-17)18(24)23(3)9-13-6-7-19-21-13/h6-7,12H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyVPOVDRLKSYNWJD-UHFFFAOYSA-N
XLogP2.90
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138387565) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is Cc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N(C)Cc1ccn[nH]1)C2.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is VPOVDRLKSYNWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10-16(11(2)25-22-10)17-20-14-8-12(4-5-15(14)26-17)18(24)23(3)9-13-6-7-19-21-13/h6-7,12H,4-5,8-9H2,1-3H3,(H,19,21).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138387565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).