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

C14H19N3OS2 — CID 97353289

IUPAC1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1csc([C@@H](C)CNC(=O)NCc2ccc(C)s2)n1
InChIInChI=1S/C14H19N3OS2/c1-9(13-17-10(2)8-19-13)6-15-14(18)16-7-12-5-4-11(3)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,18)/t9-/m0/s1
InChIKeyNTYXHRHLAABRCK-VIFPVBQESA-N
MW309.46 g/mol
LogP3.42
Rot. Bonds5

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

1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 97353289) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID97353289
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1csc([C@@H](C)CNC(=O)NCc2ccc(C)s2)n1
InChIInChI=1S/C14H19N3OS2/c1-9(13-17-10(2)8-19-13)6-15-14(18)16-7-12-5-4-11(3)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,18)/t9-/m0/s1
InChIKeyNTYXHRHLAABRCK-VIFPVBQESA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea (CID 97353289) is 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea is Cc1csc([C@@H](C)CNC(=O)NCc2ccc(C)s2)n1.
What is the InChIKey of 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is NTYXHRHLAABRCK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-9(13-17-10(2)8-19-13)6-15-14(18)16-7-12-5-4-11(3)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,18)/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea?
1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 309.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 97353289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).