(2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine

C19H35N3O2S — CID 87882417

IUPAC(2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(N)s1.CCC[C@H](NC(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C13H25NO2.C6H10N2S/c1-3-6-12(13(15)16)14-10(2)9-11-7-4-5-8-11;1-4(2)5-3-8-6(7)9-5/h10-12,14H,3-9H2,1-2H3,(H,15,16);3-4H,1-2H3,(H2,7,8)/t10?,12-;/m0./s1
InChIKeyCNEKNYWVAYEUEZ-RLVDVTLISA-N
MW369.58 g/mol
LogP4.65
Rot. Bonds8

About (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine

(2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 87882417) has the molecular formula C19H35N3O2S and a molecular weight of 369.58 g/mol. Its IUPAC name is (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID87882417
Molecular FormulaC19H35N3O2S
Molecular Weight369.58 g/mol
Exact Mass369.24
IUPAC Name(2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(N)s1.CCC[C@H](NC(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C13H25NO2.C6H10N2S/c1-3-6-12(13(15)16)14-10(2)9-11-7-4-5-8-11;1-4(2)5-3-8-6(7)9-5/h10-12,14H,3-9H2,1-2H3,(H,15,16);3-4H,1-2H3,(H2,7,8)/t10?,12-;/m0./s1
InChIKeyCNEKNYWVAYEUEZ-RLVDVTLISA-N
XLogP4.65
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
CID 87882419
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
CID 122037865
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631930
2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
CID 82257201
(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide
CID 52918701
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
(2R)-4-methyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122049216
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-2-methylpentanamide
CID 165487235
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
2-(4-cyclopropylbutan-2-ylamino)hexanoic acid
CID 122039580
2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid
CID 65055468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine (CID 87882417) is (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1cnc(N)s1.CCC[C@H](NC(C)CC1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is CNEKNYWVAYEUEZ-RLVDVTLISA-N. The full InChI is InChI=1S/C13H25NO2.C6H10N2S/c1-3-6-12(13(15)16)14-10(2)9-11-7-4-5-8-11;1-4(2)5-3-8-6(7)9-5/h10-12,14H,3-9H2,1-2H3,(H,15,16);3-4H,1-2H3,(H2,7,8)/t10?,12-;/m0./s1.
What are the key properties of (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine?
(2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 369.58 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87882417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).