1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea

C16H23N3O3S — CID 97096557

IUPAC1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)N[C@@H](C)C[C@H](O)c1ccco1)c1ncc(C)s1
InChIInChI=1S/C16H23N3O3S/c1-4-12(15-17-9-11(3)23-15)19-16(21)18-10(2)8-13(20)14-6-5-7-22-14/h5-7,9-10,12-13,20H,4,8H2,1-3H3,(H2,18,19,21)/t10-,12-,13-/m0/s1
InChIKeyYAKRHVUZQSRJTP-DRZSPHRISA-N
MW337.45 g/mol
LogP3.31
Rot. Bonds7

About 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea

1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 97096557) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID97096557
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)N[C@@H](C)C[C@H](O)c1ccco1)c1ncc(C)s1
InChIInChI=1S/C16H23N3O3S/c1-4-12(15-17-9-11(3)23-15)19-16(21)18-10(2)8-13(20)14-6-5-7-22-14/h5-7,9-10,12-13,20H,4,8H2,1-3H3,(H2,18,19,21)/t10-,12-,13-/m0/s1
InChIKeyYAKRHVUZQSRJTP-DRZSPHRISA-N
XLogP3.31
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 97320817
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 97225250
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-2-methyl-1-pyridin-2-ylpropyl]urea
CID 97225262
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 97028116
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104425
3-[1-(5-fluoro-2-pyridinyl)propylamino]-1-(furan-2-yl)butan-1-ol
CID 110011129
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 97085728
1-(1,3-benzothiazol-2-yl)-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97224822
1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 97066307
1-(1,3-benzothiazol-2-ylmethyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225104
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507783
1-[(3-ethylthiophen-2-yl)methyl]-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225359

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea (CID 97096557) is 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea is CC[C@H](NC(=O)N[C@@H](C)C[C@H](O)c1ccco1)c1ncc(C)s1.
What is the InChIKey of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is YAKRHVUZQSRJTP-DRZSPHRISA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-12(15-17-9-11(3)23-15)19-16(21)18-10(2)8-13(20)14-6-5-7-22-14/h5-7,9-10,12-13,20H,4,8H2,1-3H3,(H2,18,19,21)/t10-,12-,13-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 337.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 97096557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).