1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea

C14H25N3O2S — CID 111106616

IUPAC1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H25N3O2S/c1-6-10(7-18)16-13(19)15-9(2)12-17-11(8-20-12)14(3,4)5/h8-10,18H,6-7H2,1-5H3,(H2,15,16,19)
InChIKeyDNHNRQJWTUSGGF-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.57
Rot. Bonds5

About 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea

1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 111106616) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID111106616
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC(C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H25N3O2S/c1-6-10(7-18)16-13(19)15-9(2)12-17-11(8-20-12)14(3,4)5/h8-10,18H,6-7H2,1-5H3,(H2,15,16,19)
InChIKeyDNHNRQJWTUSGGF-UHFFFAOYSA-N
XLogP2.57
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506063
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489
1-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95331761
2-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]-N-cyclopropylacetamide
CID 95614206
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 95337061
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea
CID 110901106
N-[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95297523
N-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95614454
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56782264
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111108490

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea (CID 111106616) is 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NC(C)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is DNHNRQJWTUSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-10(7-18)16-13(19)15-9(2)12-17-11(8-20-12)14(3,4)5/h8-10,18H,6-7H2,1-5H3,(H2,15,16,19).
What are the key properties of 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 299.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 111106616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).