[4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone

C17H26N4OS — CID 97232300

IUPAC[4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCN(Cc2csc(N(C)C3CC3)n2)CC1
InChIInChI=1S/C17H26N4OS/c1-12-9-15(12)16(22)21-7-5-20(6-8-21)10-13-11-23-17(18-13)19(2)14-3-4-14/h11-12,14-15H,3-10H2,1-2H3/t12-,15-/m0/s1
InChIKeyTYIAWQBTWUVVOF-WFASDCNBSA-N
MW334.49 g/mol
LogP2.04
Rot. Bonds5

About [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone

[4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone (PubChem CID 97232300) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
PubChem CID97232300
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name[4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CCN(Cc2csc(N(C)C3CC3)n2)CC1
InChIInChI=1S/C17H26N4OS/c1-12-9-15(12)16(22)21-7-5-20(6-8-21)10-13-11-23-17(18-13)19(2)14-3-4-14/h11-12,14-15H,3-10H2,1-2H3/t12-,15-/m0/s1
InChIKeyTYIAWQBTWUVVOF-WFASDCNBSA-N
XLogP2.04
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The IUPAC name of [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone (CID 97232300) is [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The canonical SMILES for [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone is C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2csc(N(C)C3CC3)n2)CC1.
What is the InChIKey of [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The InChIKey is TYIAWQBTWUVVOF-WFASDCNBSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-12-9-15(12)16(22)21-7-5-20(6-8-21)10-13-11-23-17(18-13)19(2)14-3-4-14/h11-12,14-15H,3-10H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
[4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone has a molecular weight of 334.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 97232300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).