N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide

C15H21N3O2S — CID 814353

IUPACN-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCc1cnc(NC(=O)CN(CC2CC2)C(=O)C2CCC2)s1
InChIInChI=1S/C15H21N3O2S/c1-10-7-16-15(21-10)17-13(19)9-18(8-11-5-6-11)14(20)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,16,17,19)
InChIKeyRFEYZBMJMQRLET-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.43
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide

N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 814353) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
PubChem CID814353
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCc1cnc(NC(=O)CN(CC2CC2)C(=O)C2CCC2)s1
InChIInChI=1S/C15H21N3O2S/c1-10-7-16-15(21-10)17-13(19)9-18(8-11-5-6-11)14(20)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,16,17,19)
InChIKeyRFEYZBMJMQRLET-UHFFFAOYSA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 42663885
N-(2-methoxyethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768442
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 813355
3-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4559201
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4052980
2-[cyclopropyl(methylsulfonyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42664152
2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
ethane;N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide (CID 814353) is N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide is Cc1cnc(NC(=O)CN(CC2CC2)C(=O)C2CCC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is RFEYZBMJMQRLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10-7-16-15(21-10)17-13(19)9-18(8-11-5-6-11)14(20)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,16,17,19).
What are the key properties of N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide?
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 814353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).