2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride

C15H25Cl2N3OS — CID 119887409

IUPAC2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride
SMILESCc1csc(C2(NC(=O)CNCC3CC3)CCCC2)n1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-11-10-20-14(17-11)15(6-2-3-7-15)18-13(19)9-16-8-12-4-5-12;;/h10,12,16H,2-9H2,1H3,(H,18,19);2*1H
InChIKeyPAMIZTGQIBOMBJ-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.18
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride (PubChem CID 119887409) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride
PubChem CID119887409
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride
SMILESCc1csc(C2(NC(=O)CNCC3CC3)CCCC2)n1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-11-10-20-14(17-11)15(6-2-3-7-15)18-13(19)9-16-8-12-4-5-12;;/h10,12,16H,2-9H2,1H3,(H,18,19);2*1H
InChIKeyPAMIZTGQIBOMBJ-UHFFFAOYSA-N
XLogP3.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride (CID 119887409) is 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride is Cc1csc(C2(NC(=O)CNCC3CC3)CCCC2)n1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride?
The InChIKey is PAMIZTGQIBOMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c1-11-10-20-14(17-11)15(6-2-3-7-15)18-13(19)9-16-8-12-4-5-12;;/h10,12,16H,2-9H2,1H3,(H,18,19);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]acetamide;dihydrochloride is sourced from PubChem (CID 119887409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).