(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride

C14H20Cl2N4OS — CID 119470551

IUPAC(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
SMILESCc1nc(-c2c[nH]c(C(=O)N3CCNCC3C)c2)cs1.Cl.Cl
InChIInChI=1S/C14H18N4OS.2ClH/c1-9-6-15-3-4-18(9)14(19)12-5-11(7-16-12)13-8-20-10(2)17-13;;/h5,7-9,15-16H,3-4,6H2,1-2H3;2*1H
InChIKeyWKRUFCGZUAQSEW-UHFFFAOYSA-N
MW363.31 g/mol
LogP2.72
Rot. Bonds2

About (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride

(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride (PubChem CID 119470551) has the molecular formula C14H20Cl2N4OS and a molecular weight of 363.31 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
PubChem CID119470551
Molecular FormulaC14H20Cl2N4OS
Molecular Weight363.31 g/mol
Exact Mass362.07
IUPAC Name(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
SMILESCc1nc(-c2c[nH]c(C(=O)N3CCNCC3C)c2)cs1.Cl.Cl
InChIInChI=1S/C14H18N4OS.2ClH/c1-9-6-15-3-4-18(9)14(19)12-5-11(7-16-12)13-8-20-10(2)17-13;;/h5,7-9,15-16H,3-4,6H2,1-2H3;2*1H
InChIKeyWKRUFCGZUAQSEW-UHFFFAOYSA-N
XLogP2.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride
CID 120657233
4-(2-methyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119450224
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 95306572
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 35815183
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
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CID 61410786
4-[(2S)-2-methylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 82755240
(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43393894
1-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]piperidine-3-carboxylic acid
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[3-(hydroxymethyl)piperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43422248
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride (CID 119470551) is (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride is Cc1nc(-c2c[nH]c(C(=O)N3CCNCC3C)c2)cs1.Cl.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride?
The InChIKey is WKRUFCGZUAQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.2ClH/c1-9-6-15-3-4-18(9)14(19)12-5-11(7-16-12)13-8-20-10(2)17-13;;/h5,7-9,15-16H,3-4,6H2,1-2H3;2*1H.
What are the key properties of (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride?
(2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride has a molecular weight of 363.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 119470551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).