N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C11H13Cl2F2N5OS — CID 120411135

IUPACN-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESC1=CN=C(N=C1)C2=NC=C(S2)C(=O)NCC(CN)(F)F.Cl.Cl
InChIInChI=1S/C11H11F2N5OS.2ClH/c12-11(13,5-14)6-18-9(19)7-4-17-10(20-7)8-15-2-1-3-16-8;;/h1-4H,5-6,14H2,(H,18,19);2*1H
InChIKeyDTEHWYFISJSTRZ-UHFFFAOYSA-N
MW372.20 g/mol
LogP—
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120411135) has the molecular formula C11H13Cl2F2N5OS and a molecular weight of 372.20 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120411135
Molecular FormulaC11H13Cl2F2N5OS
Molecular Weight372.20 g/mol
Exact Mass371.02
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESC1=CN=C(N=C1)C2=NC=C(S2)C(=O)NCC(CN)(F)F.Cl.Cl
InChIInChI=1S/C11H11F2N5OS.2ClH/c12-11(13,5-14)6-18-9(19)7-4-17-10(20-7)8-15-2-1-3-16-8;;/h1-4H,5-6,14H2,(H,18,19);2*1H
InChIKeyDTEHWYFISJSTRZ-UHFFFAOYSA-N
XLogP—
TPSA122.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity341

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45822006
4-chloro-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47369952
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 48504780
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47427175
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 75425823
2-Pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 152406798
N-cyclopropyl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117084678
2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 47296234
4-methyl-2-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 47324131
2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)thiazole-4-carboxamide
CID 49670100

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120411135) is N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is C1=CN=C(N=C1)C2=NC=C(S2)C(=O)NCC(CN)(F)F.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is DTEHWYFISJSTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5OS.2ClH/c12-11(13,5-14)6-18-9(19)7-4-17-10(20-7)8-15-2-1-3-16-8;;/h1-4H,5-6,14H2,(H,18,19);2*1H.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 372.20 g/mol, XLogP of not available, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120411135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).