3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea

C16H25N3O3S — CID 51084081

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
SMILESCc1csc(CNC(=O)N(CC2CCCO2)CC2CCCO2)n1
InChIInChI=1S/C16H25N3O3S/c1-12-11-23-15(18-12)8-17-16(20)19(9-13-4-2-6-21-13)10-14-5-3-7-22-14/h11,13-14H,2-10H2,1H3,(H,17,20)
InChIKeyGBRZZQUZYQBLBC-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.32
Rot. Bonds6

About 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea

3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea (PubChem CID 51084081) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
PubChem CID51084081
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
SMILESCc1csc(CNC(=O)N(CC2CCCO2)CC2CCCO2)n1
InChIInChI=1S/C16H25N3O3S/c1-12-11-23-15(18-12)8-17-16(20)19(9-13-4-2-6-21-13)10-14-5-3-7-22-14/h11,13-14H,2-10H2,1H3,(H,17,20)
InChIKeyGBRZZQUZYQBLBC-UHFFFAOYSA-N
XLogP2.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95782280
2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95898891
2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 54962820
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94030335
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5184376
2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95782276
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 129372483
N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75423166
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea (CID 51084081) is 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea is Cc1csc(CNC(=O)N(CC2CCCO2)CC2CCCO2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea?
The InChIKey is GBRZZQUZYQBLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-11-23-15(18-12)8-17-16(20)19(9-13-4-2-6-21-13)10-14-5-3-7-22-14/h11,13-14H,2-10H2,1H3,(H,17,20).
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea?
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea has a molecular weight of 339.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 51084081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).