N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H15N5OS2 — CID 95871532

IUPACN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)cs1
InChIInChI=1S/C15H15N5OS2/c1-9-17-11(8-22-9)7-12(21)18-13(10-5-3-2-4-6-10)14-19-20-15(16)23-14/h2-6,8,13H,7H2,1H3,(H2,16,20)(H,18,21)/t13-/m1/s1
InChIKeyKTZZXGIZHLYUHD-CYBMUJFWSA-N
MW345.45 g/mol
LogP2.33
Rot. Bonds5

About N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 95871532) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID95871532
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC NameN-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)cs1
InChIInChI=1S/C15H15N5OS2/c1-9-17-11(8-22-9)7-12(21)18-13(10-5-3-2-4-6-10)14-19-20-15(16)23-14/h2-6,8,13H,7H2,1H3,(H2,16,20)(H,18,21)/t13-/m1/s1
InChIKeyKTZZXGIZHLYUHD-CYBMUJFWSA-N
XLogP2.33
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-1-phenylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
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N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
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N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
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CID 95128825
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(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
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CID 97215731
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2R,3R)-3-phenoxybutan-2-yl]acetamide
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N-[(2-methylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70766840
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 95871532) is N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N[C@H](c2ccccc2)c2nnc(N)s2)cs1.
What is the InChIKey of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KTZZXGIZHLYUHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-9-17-11(8-22-9)7-12(21)18-13(10-5-3-2-4-6-10)14-19-20-15(16)23-14/h2-6,8,13H,7H2,1H3,(H2,16,20)(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 345.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 95871532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).