1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

C14H18N4O2S2 — CID 71860762

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCc1cnc(C(C)(C)NC(=O)Nc2nc3c(s2)COCC3)s1
InChIInChI=1S/C14H18N4O2S2/c1-8-6-15-11(21-8)14(2,3)18-12(19)17-13-16-9-4-5-20-7-10(9)22-13/h6H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyNQAAJTBYHBTLPE-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.04
Rot. Bonds3

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 71860762) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID71860762
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCc1cnc(C(C)(C)NC(=O)Nc2nc3c(s2)COCC3)s1
InChIInChI=1S/C14H18N4O2S2/c1-8-6-15-11(21-8)14(2,3)18-12(19)17-13-16-9-4-5-20-7-10(9)22-13/h6H,4-5,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyNQAAJTBYHBTLPE-UHFFFAOYSA-N
XLogP3.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 138025270
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981538
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]urea
CID 71992142
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71992144
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 72117556
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(3-imidazol-1-ylpropyl)-1-methylurea
CID 99818931
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 121527849

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea (CID 71860762) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is Cc1cnc(C(C)(C)NC(=O)Nc2nc3c(s2)COCC3)s1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is NQAAJTBYHBTLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-8-6-15-11(21-8)14(2,3)18-12(19)17-13-16-9-4-5-20-7-10(9)22-13/h6H,4-5,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 338.46 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 71860762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).