WMUVTCABHQNXJL-NWDGAFQWSA-N

Name: WMUVTCABHQNXJL-NWDGAFQWSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₂F₃N₅O₃S — CID 154616839

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC[(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate

SMILESCc1cnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NCCC(F)(F)F)C3)[nH]n2)s1

InChIInChI=1S/C18H22F3N5O3S/c1-10-9-23-16(30-10)8-15(27)24-14-7-13(25-26-14)11-2-3-12(6-11)29-17(28)22-5-4-18(19,20)21/h7,9,11-12H,2-6,8H2,1H3,(H,22,28)(H2,24,25,26,27)/t11-,12+/m0/s1

InChIKeyWMUVTCABHQNXJL-NWDGAFQWSA-N

MW445.47 g/mol

LogP3.67

Rot. Bonds7

About WMUVTCABHQNXJL-NWDGAFQWSA-N

WMUVTCABHQNXJL-NWDGAFQWSA-N (PubChem CID 154616839) has the molecular formula C₁₈H₂₂F₃N₅O₃S and a molecular weight of 445.47 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate.

Molecular Properties

Compound Name	WMUVTCABHQNXJL-NWDGAFQWSA-N
PubChem CID	154616839
Molecular Formula	C₁₈H₂₂F₃N₅O₃S
Molecular Weight	445.47 g/mol
Exact Mass	445.14
IUPAC Name	[(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate
SMILES	Cc1cnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NCCC(F)(F)F)C3)[nH]n2)s1
InChI	InChI=1S/C18H22F3N5O3S/c1-10-9-23-16(30-10)8-15(27)24-14-7-13(25-26-14)11-2-3-12(6-11)29-17(28)22-5-4-18(19,20)21/h7,9,11-12H,2-6,8H2,1H3,(H,22,28)(H2,24,25,26,27)/t11-,12+/m0/s1
InChIKey	WMUVTCABHQNXJL-NWDGAFQWSA-N
XLogP	3.67
TPSA	109.00 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.47
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of WMUVTCABHQNXJL-NWDGAFQWSA-N?

The IUPAC name of WMUVTCABHQNXJL-NWDGAFQWSA-N (CID 154616839) is [(1R,3S)-3-[3-[[2-(5-methyl-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate.

What is the SMILES notation for WMUVTCABHQNXJL-NWDGAFQWSA-N?

The canonical SMILES for WMUVTCABHQNXJL-NWDGAFQWSA-N is Cc1cnc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NCCC(F)(F)F)C3)[nH]n2)s1.

What is the InChIKey of WMUVTCABHQNXJL-NWDGAFQWSA-N?

The InChIKey is WMUVTCABHQNXJL-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H22F3N5O3S/c1-10-9-23-16(30-10)8-15(27)24-14-7-13(25-26-14)11-2-3-12(6-11)29-17(28)22-5-4-18(19,20)21/h7,9,11-12H,2-6,8H2,1H3,(H,22,28)(H2,24,25,26,27)/t11-,12+/m0/s1.

What are the key properties of WMUVTCABHQNXJL-NWDGAFQWSA-N?

WMUVTCABHQNXJL-NWDGAFQWSA-N has a molecular weight of 445.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for WMUVTCABHQNXJL-NWDGAFQWSA-N is sourced from PubChem (CID 154616839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 154616839 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.