N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

C12H21N3OS — CID 113492504

IUPACN-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCC(C)C1CN=C(NCCC(=O)NC2CC2)S1
InChIInChI=1S/C12H21N3OS/c1-8(2)10-7-14-12(17-10)13-6-5-11(16)15-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRATVNCWVPNCWNF-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.37
Rot. Bonds5

About N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide

N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (PubChem CID 113492504) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
PubChem CID113492504
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
SMILESCC(C)C1CN=C(NCCC(=O)NC2CC2)S1
InChIInChI=1S/C12H21N3OS/c1-8(2)10-7-14-12(17-10)13-6-5-11(16)15-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRATVNCWVPNCWNF-UHFFFAOYSA-N
XLogP1.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 79400997
N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
CID 106284971
N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 106285571
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492444
N-cyclopropyl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109011766
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
CID 79394248
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N,N'-dicyclopropylbutanediamide
CID 5225156

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide (CID 113492504) is N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is CC(C)C1CN=C(NCCC(=O)NC2CC2)S1.
What is the InChIKey of N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
The InChIKey is RATVNCWVPNCWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)10-7-14-12(17-10)13-6-5-11(16)15-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide?
N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide has a molecular weight of 255.39 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide is sourced from PubChem (CID 113492504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).