N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide

C16H25N3O2S — CID 4584251

IUPACN-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)CC1CC1
InChIInChI=1S/C16H25N3O2S/c1-4-5-6-15(21)19(9-13-7-8-13)10-14(20)18-16-17-11(2)12(3)22-16/h13H,4-10H2,1-3H3,(H,17,18,20)
InChIKeyCIFPZTJSIULRPY-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.13
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide

N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide (PubChem CID 4584251) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
PubChem CID4584251
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)CC1CC1
InChIInChI=1S/C16H25N3O2S/c1-4-5-6-15(21)19(9-13-7-8-13)10-14(20)18-16-17-11(2)12(3)22-16/h13H,4-10H2,1-3H3,(H,17,18,20)
InChIKeyCIFPZTJSIULRPY-UHFFFAOYSA-N
XLogP3.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide (CID 4584251) is N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide is CCCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide?
The InChIKey is CIFPZTJSIULRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-5-6-15(21)19(9-13-7-8-13)10-14(20)18-16-17-11(2)12(3)22-16/h13H,4-10H2,1-3H3,(H,17,18,20).
What are the key properties of N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide?
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide has a molecular weight of 323.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 4584251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).