1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C14H21N3O2S — CID 75376200

IUPAC1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCc1cnc(C(NC(=O)NCC2(CO)CC2)C2CC2)s1
InChIInChI=1S/C14H21N3O2S/c1-9-6-15-12(20-9)11(10-2-3-10)17-13(19)16-7-14(8-18)4-5-14/h6,10-11,18H,2-5,7-8H2,1H3,(H2,16,17,19)
InChIKeyRADKQQRNSNYRNY-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.97
Rot. Bonds6

About 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 75376200) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID75376200
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCc1cnc(C(NC(=O)NCC2(CO)CC2)C2CC2)s1
InChIInChI=1S/C14H21N3O2S/c1-9-6-15-12(20-9)11(10-2-3-10)17-13(19)16-7-14(8-18)4-5-14/h6,10-11,18H,2-5,7-8H2,1H3,(H2,16,17,19)
InChIKeyRADKQQRNSNYRNY-UHFFFAOYSA-N
XLogP1.97
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71868151
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CID 96565962
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CID 71867666
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CID 71867913
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CID 71867915
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CID 46785192
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CID 71867914
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CID 71867917
CID 71867917

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 75376200) is 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is Cc1cnc(C(NC(=O)NCC2(CO)CC2)C2CC2)s1.
What is the InChIKey of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is RADKQQRNSNYRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-6-15-12(20-9)11(10-2-3-10)17-13(19)16-7-14(8-18)4-5-14/h6,10-11,18H,2-5,7-8H2,1H3,(H2,16,17,19).
What are the key properties of 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 295.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 75376200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).