N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C14H21N3O2S — CID 111579313

IUPACN-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CNCC2(CO)CC2)cs1)C1CC1
InChIInChI=1S/C14H21N3O2S/c1-10(19)17(12-2-3-12)13-16-11(7-20-13)6-15-8-14(9-18)4-5-14/h7,12,15,18H,2-6,8-9H2,1H3
InChIKeyKNNSVJMONRRPGL-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.52
Rot. Bonds7

About N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 111579313) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID111579313
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CNCC2(CO)CC2)cs1)C1CC1
InChIInChI=1S/C14H21N3O2S/c1-10(19)17(12-2-3-12)13-16-11(7-20-13)6-15-8-14(9-18)4-5-14/h7,12,15,18H,2-6,8-9H2,1H3
InChIKeyKNNSVJMONRRPGL-UHFFFAOYSA-N
XLogP1.52
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[4-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115358791
N-cyclopropyl-N-[4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75422605
N-[4-[[[(2R)-1-cyclohexylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 126793125
[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol
CID 115671392
N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 111336050
N-cyclopropyl-N-[4-[[(2-methoxy-5-methyl-3-pyridinyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 75496137
N-cyclopropyl-N-[4-[(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 136537355
N-[4-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 120912564
N-cyclopropyl-N-[4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 120906536
N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 111442466
4-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103253204
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 111579313) is N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CNCC2(CO)CC2)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KNNSVJMONRRPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(19)17(12-2-3-12)13-16-11(7-20-13)6-15-8-14(9-18)4-5-14/h7,12,15,18H,2-6,8-9H2,1H3.
What are the key properties of N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 111579313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).