(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide

C15H20N4OS — CID 97144566

IUPAC(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
SMILESCC[C@H](C(=O)NCc1nc2c(s1)CCCC2)n1cccn1
InChIInChI=1S/C15H20N4OS/c1-2-12(19-9-5-8-17-19)15(20)16-10-14-18-11-6-3-4-7-13(11)21-14/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20)/t12-/m1/s1
InChIKeyCTRRAMRTSQPJAJ-GFCCVEGCSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds5

About (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide

(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide (PubChem CID 97144566) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
PubChem CID97144566
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
SMILESCC[C@H](C(=O)NCc1nc2c(s1)CCCC2)n1cccn1
InChIInChI=1S/C15H20N4OS/c1-2-12(19-9-5-8-17-19)15(20)16-10-14-18-11-6-3-4-7-13(11)21-14/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20)/t12-/m1/s1
InChIKeyCTRRAMRTSQPJAJ-GFCCVEGCSA-N
XLogP2.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 86768177
(2R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 126436910
(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127
(2R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97141074
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97145040
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 135117050
(2R)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide
CID 97155443
(2S)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide
CID 97155442
5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124843027
(2R)-2-(4-oxo-3H-phthalazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 124751816

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide (CID 97144566) is (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide is CC[C@H](C(=O)NCc1nc2c(s1)CCCC2)n1cccn1.
What is the InChIKey of (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide?
The InChIKey is CTRRAMRTSQPJAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-12(19-9-5-8-17-19)15(20)16-10-14-18-11-6-3-4-7-13(11)21-14/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20)/t12-/m1/s1.
What are the key properties of (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide?
(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide has a molecular weight of 304.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 97144566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).