4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol

C12H18N4O2S2 — CID 106249139

IUPAC4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1snc(N)c1-c1csc(C)n1
InChIInChI=1S/C12H18N4O2S2/c1-7-15-9(6-19-7)10-11(13)16-20-12(10)14-4-3-8(17)5-18-2/h6,8,14,17H,3-5H2,1-2H3,(H2,13,16)
InChIKeyRWBOLNMPTLJMRQ-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.97
Rot. Bonds7

About 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol

4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol (PubChem CID 106249139) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol
PubChem CID106249139
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1snc(N)c1-c1csc(C)n1
InChIInChI=1S/C12H18N4O2S2/c1-7-15-9(6-19-7)10-11(13)16-20-12(10)14-4-3-8(17)5-18-2/h6,8,14,17H,3-5H2,1-2H3,(H2,13,16)
InChIKeyRWBOLNMPTLJMRQ-UHFFFAOYSA-N
XLogP1.97
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol with MolForge

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Related Compounds

5-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]pentan-2-ol
CID 106138945
5-N-[2-(3-methylbutoxy)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379335
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
CID 106174670
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-N-propan-2-ylpropanamide
CID 103384097
5-N-(cyclopentylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382835
5-N-[(4-bromothiophen-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378654
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382912
5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383828
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
CID 103875675

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol (CID 106249139) is 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol is COCC(O)CCNc1snc(N)c1-c1csc(C)n1.
What is the InChIKey of 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol?
The InChIKey is RWBOLNMPTLJMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-7-15-9(6-19-7)10-11(13)16-20-12(10)14-4-3-8(17)5-18-2/h6,8,14,17H,3-5H2,1-2H3,(H2,13,16).
What are the key properties of 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol?
4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol has a molecular weight of 314.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106249139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).