2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride

C9H12Cl2N2OS — CID 146083032

IUPAC2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CCl)N(Cc1cncs1)C1CC1
InChIInChI=1S/C9H11ClN2OS.ClH/c10-3-9(13)12(7-1-2-7)5-8-4-11-6-14-8;/h4,6-7H,1-3,5H2;1H
InChIKeySREZECZNOPBDIF-UHFFFAOYSA-N
MW267.18 g/mol
LogP2.29
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride

2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride (PubChem CID 146083032) has the molecular formula C9H12Cl2N2OS and a molecular weight of 267.18 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride
PubChem CID146083032
Molecular FormulaC9H12Cl2N2OS
Molecular Weight267.18 g/mol
Exact Mass266.00
IUPAC Name2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CCl)N(Cc1cncs1)C1CC1
InChIInChI=1S/C9H11ClN2OS.ClH/c10-3-9(13)12(7-1-2-7)5-8-4-11-6-14-8;/h4,6-7H,1-3,5H2;1H
InChIKeySREZECZNOPBDIF-UHFFFAOYSA-N
XLogP2.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-N-(1,3-thiazol-5-ylmethyl)cyclobutanamine
CID 102860547
2-[piperidin-4-yl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 112641538
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 103953978
N-(4-chloro-3-methylphenyl)-2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 50971822
N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
CID 112641605
2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 66568175
ethyl(1,3-thiazol-5-ylmethyl)carbamic acid
CID 70246505
2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N-(2,2,6,6-tetramethyloxan-4-yl)acetamide
CID 167755961
2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
CID 66568539
2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 95143146
methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate
CID 112548860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride (CID 146083032) is 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride is Cl.O=C(CCl)N(Cc1cncs1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride?
The InChIKey is SREZECZNOPBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS.ClH/c10-3-9(13)12(7-1-2-7)5-8-4-11-6-14-8;/h4,6-7H,1-3,5H2;1H.
What are the key properties of 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride?
2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride has a molecular weight of 267.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 146083032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).