1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

C16H23N3O3S — CID 96518723

IUPAC1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc([C@](C)(O)CNC(=O)NCCc2sc(C)nc2C)o1
InChIInChI=1S/C16H23N3O3S/c1-10-5-6-14(22-10)16(4,21)9-18-15(20)17-8-7-13-11(2)19-12(3)23-13/h5-6,21H,7-9H2,1-4H3,(H2,17,18,20)/t16-/m1/s1
InChIKeyDNRNANUMUGGUBB-MRXNPFEDSA-N
MW337.45 g/mol
LogP2.41
Rot. Bonds6

About 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (PubChem CID 96518723) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
PubChem CID96518723
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc([C@](C)(O)CNC(=O)NCCc2sc(C)nc2C)o1
InChIInChI=1S/C16H23N3O3S/c1-10-5-6-14(22-10)16(4,21)9-18-15(20)17-8-7-13-11(2)19-12(3)23-13/h5-6,21H,7-9H2,1-4H3,(H2,17,18,20)/t16-/m1/s1
InChIKeyDNRNANUMUGGUBB-MRXNPFEDSA-N
XLogP2.41
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 96518481
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479494
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111480767
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111482880
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 111482799
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111506172
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
N-[3-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 111520060
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]propanamide
CID 111481535
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (CID 96518723) is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is Cc1ccc([C@](C)(O)CNC(=O)NCCc2sc(C)nc2C)o1.
What is the InChIKey of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is DNRNANUMUGGUBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-10-5-6-14(22-10)16(4,21)9-18-15(20)17-8-7-13-11(2)19-12(3)23-13/h5-6,21H,7-9H2,1-4H3,(H2,17,18,20)/t16-/m1/s1.
What are the key properties of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 337.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 96518723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).