(2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide

C14H18N4OS — CID 124731661

IUPAC(2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCC[C@H](C(=O)N(Cc1nccs1)C1CC1)n1cccn1
InChIInChI=1S/C14H18N4OS/c1-2-12(18-8-3-6-16-18)14(19)17(11-4-5-11)10-13-15-7-9-20-13/h3,6-9,11-12H,2,4-5,10H2,1H3/t12-/m1/s1
InChIKeyYRBGDHVOFKBEMJ-GFCCVEGCSA-N
MW290.39 g/mol
LogP2.48
Rot. Bonds6

About (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide

(2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 124731661) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID124731661
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCC[C@H](C(=O)N(Cc1nccs1)C1CC1)n1cccn1
InChIInChI=1S/C14H18N4OS/c1-2-12(18-8-3-6-16-18)14(19)17(11-4-5-11)10-13-15-7-9-20-13/h3,6-9,11-12H,2,4-5,10H2,1H3/t12-/m1/s1
InChIKeyYRBGDHVOFKBEMJ-GFCCVEGCSA-N
XLogP2.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 124731661) is (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide is CC[C@H](C(=O)N(Cc1nccs1)C1CC1)n1cccn1.
What is the InChIKey of (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is YRBGDHVOFKBEMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-12(18-8-3-6-16-18)14(19)17(11-4-5-11)10-13-15-7-9-20-13/h3,6-9,11-12H,2,4-5,10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide?
(2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 290.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-pyrazol-1-yl-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 124731661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).