(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone

C12H18N4OS — CID 157019213

IUPAC(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone
SMILESCC1CN(C2CC2)CCN1C(=O)c1csc(N)n1
InChIInChI=1S/C12H18N4OS/c1-8-6-15(9-2-3-9)4-5-16(8)11(17)10-7-18-12(13)14-10/h7-9H,2-6H2,1H3,(H2,13,14)
InChIKeyBHBWHNXJRCROJC-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.03
Rot. Bonds2

About (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone

(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone (PubChem CID 157019213) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone
PubChem CID157019213
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone
SMILESCC1CN(C2CC2)CCN1C(=O)c1csc(N)n1
InChIInChI=1S/C12H18N4OS/c1-8-6-15(9-2-3-9)4-5-16(8)11(17)10-7-18-12(13)14-10/h7-9H,2-6H2,1H3,(H2,13,14)
InChIKeyBHBWHNXJRCROJC-UHFFFAOYSA-N
XLogP1.03
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone (CID 157019213) is (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone is CC1CN(C2CC2)CCN1C(=O)c1csc(N)n1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone?
The InChIKey is BHBWHNXJRCROJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-6-15(9-2-3-9)4-5-16(8)11(17)10-7-18-12(13)14-10/h7-9H,2-6H2,1H3,(H2,13,14).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone?
(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone has a molecular weight of 266.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 157019213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).