N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

C13H14N4O3S — CID 51432873

IUPACN-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESC[C@H](CCc1ccco1)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3S/c1-9(4-5-10-3-2-7-20-10)14-11-12(17(18)19)16-6-8-21-13(16)15-11/h2-3,6-9,14H,4-5H2,1H3/t9-/m1/s1
InChIKeyHLACUBHXUZWGKX-SECBINFHSA-N
MW306.35 g/mol
LogP3.33
Rot. Bonds6

About N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine

N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 51432873) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID51432873
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
SMILESC[C@H](CCc1ccco1)Nc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3S/c1-9(4-5-10-3-2-7-20-10)14-11-12(17(18)19)16-6-8-21-13(16)15-11/h2-3,6-9,14H,4-5H2,1H3/t9-/m1/s1
InChIKeyHLACUBHXUZWGKX-SECBINFHSA-N
XLogP3.33
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-[(2S)-pentan-2-yl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 30065324
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]butanoic acid
CID 43471124
1-N-benzyl-1-N-methyl-2-N-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)propane-1,2-diamine
CID 133435883
2-N-[4-(furan-2-yl)butan-2-yl]-3-nitropyridine-2,6-diamine
CID 80805005
N-[1-(4-methylphenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60967724
N-[1-(4-bromophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677788
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-nitropyrimidin-4-amine
CID 62100387
N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677982
N-[1-(2,4-difluorophenoxy)propan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133273714
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280485
5-nitro-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 40725451
3-[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]-N-propan-2-ylpropanamide
CID 115578507

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine (CID 51432873) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is C[C@H](CCc1ccco1)Nc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HLACUBHXUZWGKX-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-9(4-5-10-3-2-7-20-10)14-11-12(17(18)19)16-6-8-21-13(16)15-11/h2-3,6-9,14H,4-5H2,1H3/t9-/m1/s1.
What are the key properties of N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine?
N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 306.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 51432873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).