N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride

C13H20Cl2N4OS — CID 119626504

IUPACN-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
SMILESCc1nc(-c2c[nH]c(C(=O)NCC(C)(C)N)c2)cs1.Cl.Cl
InChIInChI=1S/C13H18N4OS.2ClH/c1-8-17-11(6-19-8)9-4-10(15-5-9)12(18)16-7-13(2,3)14;;/h4-6,15H,7,14H2,1-3H3,(H,16,18);2*1H
InChIKeyFCHAISLMYALQKD-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.76
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride

N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride (PubChem CID 119626504) has the molecular formula C13H20Cl2N4OS and a molecular weight of 351.30 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
PubChem CID119626504
Molecular FormulaC13H20Cl2N4OS
Molecular Weight351.30 g/mol
Exact Mass350.07
IUPAC NameN-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
SMILESCc1nc(-c2c[nH]c(C(=O)NCC(C)(C)N)c2)cs1.Cl.Cl
InChIInChI=1S/C13H18N4OS.2ClH/c1-8-17-11(6-19-8)9-4-10(15-5-9)12(18)16-7-13(2,3)14;;/h4-6,15H,7,14H2,1-3H3,(H,16,18);2*1H
InChIKeyFCHAISLMYALQKD-UHFFFAOYSA-N
XLogP2.76
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
CID 119405470
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 111458450
N-[(2S)-1-aminopropan-2-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 120506653
N-[(1-hydroxycycloheptyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 111433112
N-[(3-hydroxyphenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 71137212
N-[2-(aminomethyl)cyclohexyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride
CID 119609703
3-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]butanoic acid
CID 16779909
4-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 35512035
N-[2-(aminomethyl)cyclohexyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 119609704
N'-benzoyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbohydrazide
CID 35513092
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 94173368
3-methoxy-2-[[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]amino]propanoic acid
CID 81084843

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride (CID 119626504) is N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride is Cc1nc(-c2c[nH]c(C(=O)NCC(C)(C)N)c2)cs1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride?
The InChIKey is FCHAISLMYALQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS.2ClH/c1-8-17-11(6-19-8)9-4-10(15-5-9)12(18)16-7-13(2,3)14;;/h4-6,15H,7,14H2,1-3H3,(H,16,18);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride has a molecular weight of 351.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119626504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).