1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea

C9H15N3OS — CID 49483238

IUPAC1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCCC(C)NC(=O)NCc1cscn1
InChIInChI=1S/C9H15N3OS/c1-3-7(2)12-9(13)10-4-8-5-14-6-11-8/h5-7H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyFHRLNXKFPUAIHM-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.74
Rot. Bonds4

About 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea

1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 49483238) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID49483238
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCCC(C)NC(=O)NCc1cscn1
InChIInChI=1S/C9H15N3OS/c1-3-7(2)12-9(13)10-4-8-5-14-6-11-8/h5-7H,3-4H2,1-2H3,(H2,10,12,13)
InChIKeyFHRLNXKFPUAIHM-UHFFFAOYSA-N
XLogP1.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
2-[1-(1,3-thiazol-4-ylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375119
2-methyl-4-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 80540931
1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 111338339
3-methyl-2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65226370
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
N-(1,3-thiazol-4-ylmethyl)but-2-enamide
CID 78986565
1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483368
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea (CID 49483238) is 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea is CCC(C)NC(=O)NCc1cscn1.
What is the InChIKey of 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is FHRLNXKFPUAIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-7(2)12-9(13)10-4-8-5-14-6-11-8/h5-7H,3-4H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea?
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 213.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 49483238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).