1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea

C15H26N4O2S — CID 97079359

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)[C@H]1OCC[C@H]1CNC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C15H26N4O2S/c1-10(2)13-11(5-6-21-13)7-16-14(20)17-8-12-9-22-15(18-12)19(3)4/h9-11,13H,5-8H2,1-4H3,(H2,16,17,20)/t11-,13+/m0/s1
InChIKeyLUJHELBNHFKWOE-WCQYABFASA-N
MW326.47 g/mol
LogP2.07
Rot. Bonds6

About 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 97079359) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID97079359
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCC(C)[C@H]1OCC[C@H]1CNC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C15H26N4O2S/c1-10(2)13-11(5-6-21-13)7-16-14(20)17-8-12-9-22-15(18-12)19(3)4/h9-11,13H,5-8H2,1-4H3,(H2,16,17,20)/t11-,13+/m0/s1
InChIKeyLUJHELBNHFKWOE-WCQYABFASA-N
XLogP2.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079360
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71976469
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111619178
1-[(3-methyloxetan-3-yl)methyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999461
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999330
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 120638628
1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97221546
N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 115671381
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 97242047

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 97079359) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea is CC(C)[C@H]1OCC[C@H]1CNC(=O)NCc1csc(N(C)C)n1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is LUJHELBNHFKWOE-WCQYABFASA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-10(2)13-11(5-6-21-13)7-16-14(20)17-8-12-9-22-15(18-12)19(3)4/h9-11,13H,5-8H2,1-4H3,(H2,16,17,20)/t11-,13+/m0/s1.
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 326.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 97079359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).