1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea

C19H27N5OS — CID 126441632

About 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea

1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea (PubChem CID 126441632) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea
• PubChem CID: 126441632
• Molecular Formula: C19H27N5OS
• Molecular Weight: 373.53 g/mol
• Exact Mass: 373.19
• IUPAC Name: 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea
• SMILES: Cc1nc([C@H](C)N(C)C(=O)NCc2nc(C)c3c(n2)CCCC3)c(C)s1
• InChI: InChI=1S/C19H27N5OS/c1-11-15-8-6-7-9-16(15)23-17(21-11)10-20-19(25)24(5)12(2)18-13(3)26-14(4)22-18/h12H,6-10H2,1-5H3,(H,20,25)/t12-/m0/s1
• InChIKey: GMHHDRVUCXHUJX-LBPRGKRZSA-N
• XLogP: 3.64
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.53
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea?

The IUPAC name of 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea (CID 126441632) is 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea.

What is the SMILES notation for 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea?

The canonical SMILES for 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea is Cc1nc([C@H](C)N(C)C(=O)NCc2nc(C)c3c(n2)CCCC3)c(C)s1.

What is the InChIKey of 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea?

The InChIKey is GMHHDRVUCXHUJX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-11-15-8-6-7-9-16(15)23-17(21-11)10-20-19(25)24(5)12(2)18-13(3)26-14(4)22-18/h12H,6-10H2,1-5H3,(H,20,25)/t12-/m0/s1.

What are the key properties of 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea?

1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea has a molecular weight of 373.53 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea is sourced from PubChem (CID 126441632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).