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

C17H20F3N5O3S — CID 154616519

IUPAC[(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate
SMILESO=C(Cc1nccs1)Nc1cc([C@H]2CC[C@@H](OC(=O)NCCC(F)(F)F)C2)[nH]n1
InChIInChI=1S/C17H20F3N5O3S/c18-17(19,20)3-4-22-16(27)28-11-2-1-10(7-11)12-8-13(25-24-12)23-14(26)9-15-21-5-6-29-15/h5-6,8,10-11H,1-4,7,9H2,(H,22,27)(H2,23,24,25,26)/t10-,11+/m0/s1
InChIKeyAWCAYVWISFXAOY-WDEREUQCSA-N
MW431.44 g/mol
LogP3.36
Rot. Bonds7

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

[(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate (PubChem CID 154616519) has the molecular formula C17H20F3N5O3S and a molecular weight of 431.44 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate
PubChem CID154616519
Molecular FormulaC17H20F3N5O3S
Molecular Weight431.44 g/mol
Exact Mass431.12
IUPAC Name[(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate
SMILESO=C(Cc1nccs1)Nc1cc([C@H]2CC[C@@H](OC(=O)NCCC(F)(F)F)C2)[nH]n1
InChIInChI=1S/C17H20F3N5O3S/c18-17(19,20)3-4-22-16(27)28-11-2-1-10(7-11)12-8-13(25-24-12)23-14(26)9-15-21-5-6-29-15/h5-6,8,10-11H,1-4,7,9H2,(H,22,27)(H2,23,24,25,26)/t10-,11+/m0/s1
InChIKeyAWCAYVWISFXAOY-WDEREUQCSA-N
XLogP3.36
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11014911, Example 159
CID 154616828
US11014911, Example 2
CID 154616857
US11014911, Example 79
CID 155040544
US11014911, Example 403
CID 154616400
US11014911, Example 390
CID 154616469
US11014911, Example 223
CID 154616604
US11014911, Example 254
CID 154616628
US11014911, Example 221
CID 154616839
US11014911, Example 249
CID 154616861
US11014911, Example 423
CID 154616398
US11014911, Example 352
CID 154616468
US11014911, Example 353
CID 154616486

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate (CID 154616519) is [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate is O=C(Cc1nccs1)Nc1cc([C@H]2CC[C@@H](OC(=O)NCCC(F)(F)F)C2)[nH]n1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate?
The InChIKey is AWCAYVWISFXAOY-WDEREUQCSA-N. The full InChI is InChI=1S/C17H20F3N5O3S/c18-17(19,20)3-4-22-16(27)28-11-2-1-10(7-11)12-8-13(25-24-12)23-14(26)9-15-21-5-6-29-15/h5-6,8,10-11H,1-4,7,9H2,(H,22,27)(H2,23,24,25,26)/t10-,11+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate?
[(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate has a molecular weight of 431.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3,3,3-trifluoropropyl)carbamate is sourced from PubChem (CID 154616519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).