(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide

C18H31N5O2S — CID 52918701

IUPAC(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide
SMILESC[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCc1cnc(N)s1)N(C)C
InChIInChI=1S/C18H31N5O2S/c1-12(23(2)3)16(24)22-15(9-13-7-5-4-6-8-13)17(25)20-10-14-11-21-18(19)26-14/h11-13,15H,4-10H2,1-3H3,(H2,19,21)(H,20,25)(H,22,24)/t12-,15-/m0/s1
InChIKeyXAAJOKQBCOBOSX-WFASDCNBSA-N
MW381.55 g/mol
LogP1.75
Rot. Bonds8

About (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide

(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide (PubChem CID 52918701) has the molecular formula C18H31N5O2S and a molecular weight of 381.55 g/mol. Its IUPAC name is (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide
PubChem CID52918701
Molecular FormulaC18H31N5O2S
Molecular Weight381.55 g/mol
Exact Mass381.22
IUPAC Name(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide
SMILESC[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCc1cnc(N)s1)N(C)C
InChIInChI=1S/C18H31N5O2S/c1-12(23(2)3)16(24)22-15(9-13-7-5-4-6-8-13)17(25)20-10-14-11-21-18(19)26-14/h11-13,15H,4-10H2,1-3H3,(H2,19,21)(H,20,25)(H,22,24)/t12-,15-/m0/s1
InChIKeyXAAJOKQBCOBOSX-WFASDCNBSA-N
XLogP1.75
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide?
The IUPAC name of (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide (CID 52918701) is (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide?
The canonical SMILES for (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide is C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)NCc1cnc(N)s1)N(C)C.
What is the InChIKey of (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide?
The InChIKey is XAAJOKQBCOBOSX-WFASDCNBSA-N. The full InChI is InChI=1S/C18H31N5O2S/c1-12(23(2)3)16(24)22-15(9-13-7-5-4-6-8-13)17(25)20-10-14-11-21-18(19)26-14/h11-13,15H,4-10H2,1-3H3,(H2,19,21)(H,20,25)(H,22,24)/t12-,15-/m0/s1.
What are the key properties of (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide?
(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide has a molecular weight of 381.55 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide is sourced from PubChem (CID 52918701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).