1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol

C15H26N4OS — CID 79379203

IUPAC1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc2sccn2c1CNC(C)C
InChIInChI=1S/C15H26N4OS/c1-6-18(10-15(4,5)20)13-12(9-16-11(2)3)19-7-8-21-14(19)17-13/h7-8,11,16,20H,6,9-10H2,1-5H3
InChIKeyUSJSJWQRDNLVQB-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.49
Rot. Bonds7

About 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol

1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol (PubChem CID 79379203) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol
PubChem CID79379203
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc2sccn2c1CNC(C)C
InChIInChI=1S/C15H26N4OS/c1-6-18(10-15(4,5)20)13-12(9-16-11(2)3)19-7-8-21-14(19)17-13/h7-8,11,16,20H,6,9-10H2,1-5H3
InChIKeyUSJSJWQRDNLVQB-UHFFFAOYSA-N
XLogP2.49
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476481
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986359
2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol
CID 79390755
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
CID 54879823
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61448953
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
5-[(tert-butylamino)methyl]-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55148570
N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476403
N-butan-2-yl-5-[(tert-butylamino)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63058948
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64781178
2-[ethyl-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]-N,N-dimethylacetamide
CID 61449141

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol (CID 79379203) is 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc2sccn2c1CNC(C)C.
What is the InChIKey of 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol?
The InChIKey is USJSJWQRDNLVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-6-18(10-15(4,5)20)13-12(9-16-11(2)3)19-7-8-21-14(19)17-13/h7-8,11,16,20H,6,9-10H2,1-5H3.
What are the key properties of 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol?
1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol has a molecular weight of 310.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79379203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).